N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

C15H20N6O — CID 125169943

IUPACN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCNc1ncc(CN(C)c2cc([C@H]3CCOC3)ncn2)cn1
InChIInChI=1S/C15H20N6O/c1-16-15-17-6-11(7-18-15)8-21(2)14-5-13(19-10-20-14)12-3-4-22-9-12/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyYKFFBGUKEPKRAP-LBPRGKRZSA-N
MW300.37 g/mol
LogP1.45
Rot. Bonds5

About N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine

N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 125169943) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID125169943
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC NameN-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
SMILESCNc1ncc(CN(C)c2cc([C@H]3CCOC3)ncn2)cn1
InChIInChI=1S/C15H20N6O/c1-16-15-17-6-11(7-18-15)8-21(2)14-5-13(19-10-20-14)12-3-4-22-9-12/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,16,17,18)/t12-/m0/s1
InChIKeyYKFFBGUKEPKRAP-LBPRGKRZSA-N
XLogP1.45
TPSA76.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine (CID 125169943) is N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is CNc1ncc(CN(C)c2cc([C@H]3CCOC3)ncn2)cn1.
What is the InChIKey of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is YKFFBGUKEPKRAP-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H20N6O/c1-16-15-17-6-11(7-18-15)8-21(2)14-5-13(19-10-20-14)12-3-4-22-9-12/h5-7,10,12H,3-4,8-9H2,1-2H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine?
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 300.37 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125169943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).