5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine

C13H22N6 — CID 67156405

IUPAC5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1(C)CN(c2nc(N)nc(N)c2CC2CC2)C1
InChIInChI=1S/C13H22N6/c1-13(16-2)6-19(7-13)11-9(5-8-3-4-8)10(14)17-12(15)18-11/h8,16H,3-7H2,1-2H3,(H4,14,15,17,18)
InChIKeyDVEIKGNYKSZGAJ-UHFFFAOYSA-N
MW262.36 g/mol
LogP0.39
Rot. Bonds4

About 5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine

5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine (PubChem CID 67156405) has the molecular formula C13H22N6 and a molecular weight of 262.36 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
PubChem CID67156405
Molecular FormulaC13H22N6
Molecular Weight262.36 g/mol
Exact Mass262.19
IUPAC Name5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
SMILESCNC1(C)CN(c2nc(N)nc(N)c2CC2CC2)C1
InChIInChI=1S/C13H22N6/c1-13(16-2)6-19(7-13)11-9(5-8-3-4-8)10(14)17-12(15)18-11/h8,16H,3-7H2,1-2H3,(H4,14,15,17,18)
InChIKeyDVEIKGNYKSZGAJ-UHFFFAOYSA-N
XLogP0.39
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(cyclopropylmethyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidine-2,4-diamine;dihydrate
CID 129073743
4-[3-methyl-3-(methylamino)azetidin-1-yl]-6,7,8,9-tetrahydro-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 42603142
4-cyclopentyl-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623971
5-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine;hydrochloride
CID 66741052
4-[3-methyl-3-(methylamino)azetidin-1-yl]-6-(oxolan-2-yl)pyrimidin-2-amine
CID 74948760
5-[(4-chlorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 67157443
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-(cyclohexylmethyl)-2-ethylsulfanylpyrimidine-4,6-diamine
CID 67568333
5-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidine-2,4-diamine
CID 67156312
5-cyclohexyl-6-[4-(methylamino)piperidin-1-yl]pyrimidine-2,4-diamine
CID 68550539
4-(4,4-dimethylpiperidin-1-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327459
6-(4-methyl-1,4-diazepan-1-yl)-5-(2-methylpropyl)pyrimidine-2,4-diamine
CID 66741126

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The IUPAC name of 5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine (CID 67156405) is 5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine is CNC1(C)CN(c2nc(N)nc(N)c2CC2CC2)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
The InChIKey is DVEIKGNYKSZGAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N6/c1-13(16-2)6-19(7-13)11-9(5-8-3-4-8)10(14)17-12(15)18-11/h8,16H,3-7H2,1-2H3,(H4,14,15,17,18).
What are the key properties of 5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine?
5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine has a molecular weight of 262.36 g/mol, XLogP of 0.39, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-6-[3-methyl-3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 67156405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).