N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine

C19H26N4O3 — CID 118787512

IUPACN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(NCc2c(C)cc(C)nc2OC)cc(C2CCOC2)n1
InChIInChI=1S/C19H26N4O3/c1-12-7-13(2)21-19(25-4)15(12)9-20-17-8-16(14-5-6-26-10-14)22-18(23-17)11-24-3/h7-8,14H,5-6,9-11H2,1-4H3,(H,20,22,23)
InChIKeyVAQPMXMLSDMNMR-UHFFFAOYSA-N
MW358.44 g/mol
LogP2.76
Rot. Bonds7

About N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine

N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine (PubChem CID 118787512) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
PubChem CID118787512
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
SMILESCOCc1nc(NCc2c(C)cc(C)nc2OC)cc(C2CCOC2)n1
InChIInChI=1S/C19H26N4O3/c1-12-7-13(2)21-19(25-4)15(12)9-20-17-8-16(14-5-6-26-10-14)22-18(23-17)11-24-3/h7-8,14H,5-6,9-11H2,1-4H3,(H,20,22,23)
InChIKeyVAQPMXMLSDMNMR-UHFFFAOYSA-N
XLogP2.76
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine with MolForge

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Related Compounds

2-(methoxymethyl)-N-(1,2-oxazol-5-ylmethyl)-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119061530
N-(2,3-dihydroimidazo[2,1-b][1,3]thiazol-6-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126447830
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-(methoxymethyl)-6-[(3R)-oxolan-3-yl]pyrimidin-4-amine
CID 126429104
N-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]-2-(methoxymethyl)-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126450398
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439515
1-[4-[(4-methoxyphenyl)methylamino]-6-(oxolan-3-yl)pyrimidin-2-yl]azetidin-3-ol
CID 119059527
1-[4-[(4-methoxyphenyl)methylamino]-6-[(3S)-oxolan-3-yl]pyrimidin-2-yl]azetidin-3-ol
CID 126424935
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-(oxolan-3-yl)pyrimidin-4-amine
CID 119068755
N-[[3-(methoxymethyl)-1H-pyrazol-5-yl]methyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
CID 126442663
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-4,5,6-trimethylpyrimidin-2-amine
CID 163311507
2-(methoxymethyl)-4-[(3R)-oxolan-3-yl]-6-(3-pyrazol-1-ylazetidin-1-yl)pyrimidine
CID 126441110

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The IUPAC name of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine (CID 118787512) is N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine.
What is the SMILES notation for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The canonical SMILES for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine is COCc1nc(NCc2c(C)cc(C)nc2OC)cc(C2CCOC2)n1.
What is the InChIKey of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
The InChIKey is VAQPMXMLSDMNMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12-7-13(2)21-19(25-4)15(12)9-20-17-8-16(14-5-6-26-10-14)22-18(23-17)11-24-3/h7-8,14H,5-6,9-11H2,1-4H3,(H,20,22,23).
What are the key properties of N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine?
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine has a molecular weight of 358.44 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-2-(methoxymethyl)-6-(oxolan-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 118787512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).