5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride

C13H25ClN6 — CID 66741052

IUPAC5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
SMILESCNC1CN(c2nc(N)nc(N)c2CC(C)(C)C)C1.Cl
InChIInChI=1S/C13H24N6.ClH/c1-13(2,3)5-9-10(14)17-12(15)18-11(9)19-6-8(7-19)16-4;/h8,16H,5-7H2,1-4H3,(H4,14,15,17,18);1H
InChIKeyCBBANNAJYLDOQU-UHFFFAOYSA-N
MW300.84 g/mol
LogP1.06
Rot. Bonds3

About 5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride

5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 66741052) has the molecular formula C13H25ClN6 and a molecular weight of 300.84 g/mol. Its IUPAC name is 5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
PubChem CID66741052
Molecular FormulaC13H25ClN6
Molecular Weight300.84 g/mol
Exact Mass300.18
IUPAC Name5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
SMILESCNC1CN(c2nc(N)nc(N)c2CC(C)(C)C)C1.Cl
InChIInChI=1S/C13H24N6.ClH/c1-13(2,3)5-9-10(14)17-12(15)18-11(9)19-6-8(7-19)16-4;/h8,16H,5-7H2,1-4H3,(H4,14,15,17,18);1H
InChIKeyCBBANNAJYLDOQU-UHFFFAOYSA-N
XLogP1.06
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.84
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(3aR,6aS)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-5-(2,2-dimethylpropyl)pyrimidine-2,4-diamine
CID 126662892
5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 67157443
4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623810
5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;dihydrate
CID 129073743
5-(3,3-dimethylbutyl)-6-[(3R)-3,4-dimethylpiperazin-1-yl]pyrimidine-2,4-diamine
CID 67157158
5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 67156405
(6aR,10aR)-4-[3-(methylamino)azetidin-1-yl]-5,6,6a,7,8,9,10,10a-octahydrobenzo[h]quinazolin-2-amine
CID 66741299
7-[(1R)-1-methoxyethyl]-4-[3-(methylamino)azetidin-1-yl]-7,8-dihydro-6H-pyrimido[5,4-b][1,4]oxazin-2-amine
CID 164530997
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833
5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 67156312
6-[1-(methoxymethyl)cyclopropyl]-4-[3-(methylamino)azetidin-1-yl]furo[3,2-d]pyrimidin-2-amine
CID 150583905
5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine
CID 68550539

Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride (CID 66741052) is 5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride is CNC1CN(c2nc(N)nc(N)c2CC(C)(C)C)C1.Cl.
What is the InChIKey of 5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is CBBANNAJYLDOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6.ClH/c1-13(2,3)5-9-10(14)17-12(15)18-11(9)19-6-8(7-19)16-4;/h8,16H,5-7H2,1-4H3,(H4,14,15,17,18);1H.
What are the key properties of 5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride?
5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 300.84 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 66741052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).