4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

C16H20N4O2 — CID 126439515

IUPAC4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2cc([C@H]3CCOC3)nc(N)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-21-13-4-2-11(3-5-13)9-18-15-8-14(19-16(17)20-15)12-6-7-22-10-12/h2-5,8,12H,6-7,9-10H2,1H3,(H3,17,18,19,20)/t12-/m0/s1
InChIKeyPZKBGVKQIRRCIA-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.18
Rot. Bonds5

About 4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 126439515) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID126439515
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CNc2cc([C@H]3CCOC3)nc(N)n2)cc1
InChIInChI=1S/C16H20N4O2/c1-21-13-4-2-11(3-5-13)9-18-15-8-14(19-16(17)20-15)12-6-7-22-10-12/h2-5,8,12H,6-7,9-10H2,1H3,(H3,17,18,19,20)/t12-/m0/s1
InChIKeyPZKBGVKQIRRCIA-LBPRGKRZSA-N
XLogP2.18
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126439514
4-[[[2-amino-6-[(3R)-oxolan-3-yl]pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 126449866
4-[[[2-amino-6-(oxolan-3-yl)pyrimidin-4-yl]amino]methyl]benzenesulfonamide
CID 119072706
4-N-[(5-methylfuran-2-yl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126428680
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
4-N-(1,3-benzodioxol-5-ylmethyl)-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125160881
4-N-(2,3-dihydro-1-benzofuran-5-ylmethyl)-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126434940
4-N-[(2,5-dimethylphenyl)methyl]-6-(oxolan-3-yl)pyrimidine-2,4-diamine
CID 119061126
4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 125178207
4-N-[[2-(2-methoxyphenyl)-1,3-thiazol-5-yl]methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine
CID 126433133
6-[(3R)-oxolan-3-yl]-4-N-[[2-(trifluoromethoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 126430229

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 126439515) is 4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is COc1ccc(CNc2cc([C@H]3CCOC3)nc(N)n2)cc1.
What is the InChIKey of 4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is PZKBGVKQIRRCIA-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-21-13-4-2-11(3-5-13)9-18-15-8-14(19-16(17)20-15)12-6-7-22-10-12/h2-5,8,12H,6-7,9-10H2,1H3,(H3,17,18,19,20)/t12-/m0/s1.
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 300.36 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-methoxyphenyl)methyl]-6-[(3R)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126439515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).