4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

C16H21N5O — CID 125178207

IUPAC4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2cc([C@@H]3CCOC3)nc(N)n2)cnc1C
InChIInChI=1S/C16H21N5O/c1-10-5-12(7-18-11(10)2)8-19-15-6-14(20-16(17)21-15)13-3-4-22-9-13/h5-7,13H,3-4,8-9H2,1-2H3,(H3,17,19,20,21)/t13-/m1/s1
InChIKeySCYKXGMJVKOFPJ-CYBMUJFWSA-N
MW299.38 g/mol
LogP2.19
Rot. Bonds4

About 4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine

4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (PubChem CID 125178207) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is 4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
PubChem CID125178207
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC Name4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine
SMILESCc1cc(CNc2cc([C@@H]3CCOC3)nc(N)n2)cnc1C
InChIInChI=1S/C16H21N5O/c1-10-5-12(7-18-11(10)2)8-19-15-6-14(20-16(17)21-15)13-3-4-22-9-13/h5-7,13H,3-4,8-9H2,1-2H3,(H3,17,19,20,21)/t13-/m1/s1
InChIKeySCYKXGMJVKOFPJ-CYBMUJFWSA-N
XLogP2.19
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine (CID 125178207) is 4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is Cc1cc(CNc2cc([C@@H]3CCOC3)nc(N)n2)cnc1C.
What is the InChIKey of 4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is SCYKXGMJVKOFPJ-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21N5O/c1-10-5-12(7-18-11(10)2)8-19-15-6-14(20-16(17)21-15)13-3-4-22-9-13/h5-7,13H,3-4,8-9H2,1-2H3,(H3,17,19,20,21)/t13-/m1/s1.
What are the key properties of 4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine?
4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 299.38 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5,6-dimethyl-3-pyridinyl)methyl]-6-[(3S)-oxolan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 125178207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).