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

C16H20N4O2 — CID 126439514

IUPAC4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-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-/m1/s1
InChIKeyPZKBGVKQIRRCIA-GFCCVEGCSA-N
MW300.36 g/mol
LogP2.18
Rot. Bonds5

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

4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 126439514) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID126439514
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-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-/m1/s1
InChIKeyPZKBGVKQIRRCIA-GFCCVEGCSA-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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Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 126439514) is 4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-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-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is PZKBGVKQIRRCIA-GFCCVEGCSA-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-/m1/s1.
What are the key properties of 4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-[(4-methoxyphenyl)methyl]-6-[(3S)-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-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 126439514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).