1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

C15H21N7O — CID 50975483

IUPAC1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCNc1ncc(CN(C)c2nccc(N3CCC(O)C3)n2)cn1
InChIInChI=1S/C15H21N7O/c1-16-14-18-7-11(8-19-14)9-21(2)15-17-5-3-13(20-15)22-6-4-12(23)10-22/h3,5,7-8,12,23H,4,6,9-10H2,1-2H3,(H,16,18,19)
InChIKeyVFJXWJNEIQIGQC-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.52
Rot. Bonds5

About 1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol

1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (PubChem CID 50975483) has the molecular formula C15H21N7O and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
PubChem CID50975483
Molecular FormulaC15H21N7O
Molecular Weight315.38 g/mol
Exact Mass315.18
IUPAC Name1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol
SMILESCNc1ncc(CN(C)c2nccc(N3CCC(O)C3)n2)cn1
InChIInChI=1S/C15H21N7O/c1-16-14-18-7-11(8-19-14)9-21(2)15-17-5-3-13(20-15)22-6-4-12(23)10-22/h3,5,7-8,12,23H,4,6,9-10H2,1-2H3,(H,16,18,19)
InChIKeyVFJXWJNEIQIGQC-UHFFFAOYSA-N
XLogP0.52
TPSA90.30 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol (CID 50975483) is 1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is CNc1ncc(CN(C)c2nccc(N3CCC(O)C3)n2)cn1.
What is the InChIKey of 1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
The InChIKey is VFJXWJNEIQIGQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O/c1-16-14-18-7-11(8-19-14)9-21(2)15-17-5-3-13(20-15)22-6-4-12(23)10-22/h3,5,7-8,12,23H,4,6,9-10H2,1-2H3,(H,16,18,19).
What are the key properties of 1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol?
1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol has a molecular weight of 315.38 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[methyl-[[2-(methylamino)pyrimidin-5-yl]methyl]amino]pyrimidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 50975483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).