4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine

C19H26N6 — CID 135305249

IUPAC4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(CNCC3(c4ccccc4)CC3)nc(N)n2)C1
InChIInChI=1S/C19H26N6/c1-21-16-11-25(12-16)17-9-15(23-18(20)24-17)10-22-13-19(7-8-19)14-5-3-2-4-6-14/h2-6,9,16,21-22H,7-8,10-13H2,1H3,(H2,20,23,24)
InChIKeyGLCPJXQJNAHXAX-UHFFFAOYSA-N
MW338.46 g/mol
LogP1.29
Rot. Bonds7

About 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine

4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine (PubChem CID 135305249) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine
PubChem CID135305249
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC Name4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine
SMILESCNC1CN(c2cc(CNCC3(c4ccccc4)CC3)nc(N)n2)C1
InChIInChI=1S/C19H26N6/c1-21-16-11-25(12-16)17-9-15(23-18(20)24-17)10-22-13-19(7-8-19)14-5-3-2-4-6-14/h2-6,9,16,21-22H,7-8,10-13H2,1H3,(H2,20,23,24)
InChIKeyGLCPJXQJNAHXAX-UHFFFAOYSA-N
XLogP1.29
TPSA79.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine with MolForge

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Related Compounds

4-(anilinomethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 141306289
2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]-1-phenylethanol
CID 135305239
4-(2,2-dimethylpropyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623810
4-[2-[[2-amino-6-[3-(methylamino)azetidin-1-yl]pyrimidin-4-yl]methylamino]ethyl]benzonitrile
CID 135305238
4-(cyclopentylmethyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623737
4-[3-(ethylamino)azetidin-1-yl]-6-[(pentylamino)methyl]pyrimidin-2-amine
CID 142766593
4-N-[(2,6-difluorophenyl)methyl]-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 91407947
4-[3-(methylamino)azetidin-1-yl]-6-(4-methylphenyl)pyrimidin-2-amine
CID 11184773
4-N-(3-ethylphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 91131494
4-cyclopentyl-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 42623888
4-N-butyl-6-[3-(methylamino)azetidin-1-yl]pyrimidine-2,4-diamine
CID 24745833
4-(4-methoxyphenyl)-6-[3-(methylamino)azetidin-1-yl]pyrimidin-2-amine
CID 11471669

Frequently Asked Questions

What is the IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine?
The IUPAC name of 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine (CID 135305249) is 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine.
What is the SMILES notation for 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine?
The canonical SMILES for 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine is CNC1CN(c2cc(CNCC3(c4ccccc4)CC3)nc(N)n2)C1.
What is the InChIKey of 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine?
The InChIKey is GLCPJXQJNAHXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6/c1-21-16-11-25(12-16)17-9-15(23-18(20)24-17)10-22-13-19(7-8-19)14-5-3-2-4-6-14/h2-6,9,16,21-22H,7-8,10-13H2,1H3,(H2,20,23,24).
What are the key properties of 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine?
4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine has a molecular weight of 338.46 g/mol, XLogP of 1.29, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)azetidin-1-yl]-6-[[(1-phenylcyclopropyl)methylamino]methyl]pyrimidin-2-amine is sourced from PubChem (CID 135305249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).