6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine

C16H30N6 — CID 150390182

IUPAC6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine
SMILESCC(C)(C)CC1(N)C=C(N2CC3CCCNC3C2)NC(N)=N1
InChIInChI=1S/C16H30N6/c1-15(2,3)10-16(18)7-13(20-14(17)21-16)22-8-11-5-4-6-19-12(11)9-22/h7,11-12,19H,4-6,8-10,18H2,1-3H3,(H3,17,20,21)
InChIKeyHBNSUUSNTIGOCX-UHFFFAOYSA-N
MW306.46 g/mol
LogP0.52
Rot. Bonds2

About 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine

6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine (PubChem CID 150390182) has the molecular formula C16H30N6 and a molecular weight of 306.46 g/mol. Its IUPAC name is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine
PubChem CID150390182
Molecular FormulaC16H30N6
Molecular Weight306.46 g/mol
Exact Mass306.25
IUPAC Name6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine
SMILESCC(C)(C)CC1(N)C=C(N2CC3CCCNC3C2)NC(N)=N1
InChIInChI=1S/C16H30N6/c1-15(2,3)10-16(18)7-13(20-14(17)21-16)22-8-11-5-4-6-19-12(11)9-22/h7,11-12,19H,4-6,8-10,18H2,1-3H3,(H3,17,20,21)
InChIKeyHBNSUUSNTIGOCX-UHFFFAOYSA-N
XLogP0.52
TPSA91.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.46
LogP ≤ 50.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine with MolForge

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Related Compounds

6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-2-N-(2,2-dimethylpropyl)-1,3,5-triazine-2,4-diamine
CID 156717756
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 91210228
4-[(7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-tert-butylpyrimidin-2-amine
CID 126619316
4-(cyclopropylmethyl)-6-[(3R)-3-methylpiperazin-1-yl]-1H-pyrimidine-2,4-diamine
CID 152629962
6-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-N-(3,3-dimethylbutyl)pyrimidin-4-amine
CID 67156861
(4aS,7aS)-6-(4-ethyl-1-prop-2-enylimidazol-2-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106553822
(4aS,7aS)-6-(4-ethylsulfonylphenyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683941
4-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-6-propan-2-ylpyrimidin-2-amine
CID 59777359
5-[(4aS,7aS)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-3-tert-butyl-1,2,4-thiadiazole
CID 102683945
6-(1-cyclopentyl-4-ethylimidazol-2-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 106553781
(4aS,7aS)-6-(5-bromopyrimidin-2-yl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683732
(4aS,7aR)-6-ethyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 124762075

Frequently Asked Questions

What is the IUPAC name of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine?
The IUPAC name of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine (CID 150390182) is 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine.
What is the SMILES notation for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine?
The canonical SMILES for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine is CC(C)(C)CC1(N)C=C(N2CC3CCCNC3C2)NC(N)=N1.
What is the InChIKey of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine?
The InChIKey is HBNSUUSNTIGOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6/c1-15(2,3)10-16(18)7-13(20-14(17)21-16)22-8-11-5-4-6-19-12(11)9-22/h7,11-12,19H,4-6,8-10,18H2,1-3H3,(H3,17,20,21).
What are the key properties of 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine?
6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine has a molecular weight of 306.46 g/mol, XLogP of 0.52, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl)-4-(2,2-dimethylpropyl)-1H-pyrimidine-2,4-diamine is sourced from PubChem (CID 150390182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).