6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

C11H13N5O — CID 113268079

IUPAC6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1cc(NCc2cccnc2)nc(N)n1
InChIInChI=1S/C11H13N5O/c1-17-10-5-9(15-11(12)16-10)14-7-8-3-2-4-13-6-8/h2-6H,7H2,1H3,(H3,12,14,15,16)
InChIKeyDERMWKDPXQAETI-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.07
Rot. Bonds4

About 6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine

6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (PubChem CID 113268079) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
PubChem CID113268079
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
SMILESCOc1cc(NCc2cccnc2)nc(N)n1
InChIInChI=1S/C11H13N5O/c1-17-10-5-9(15-11(12)16-10)14-7-8-3-2-4-13-6-8/h2-6H,7H2,1H3,(H3,12,14,15,16)
InChIKeyDERMWKDPXQAETI-UHFFFAOYSA-N
XLogP1.07
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methoxy-2-(methoxymethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456595
2-cyclopropyl-6-methoxy-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 82456386
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 104696689
4-N-[(3-fluorophenyl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053013
4-[2-[[2-amino-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]ethyl]phenol
CID 117086266
6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817433
4-N-propyl-6-pyridin-3-yloxypyrimidine-2,4-diamine
CID 80881143
2-tert-butyl-6-hydrazinyl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 80969342
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
CID 80791747
4-N-[(2-methoxy-4-pyridinyl)methyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 80831217
4-N-[(3,4-dimethoxyphenyl)methyl]-6-methyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112919581
4-N-(2-methoxyphenyl)-2-methyl-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112873455

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine (CID 113268079) is 6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is COc1cc(NCc2cccnc2)nc(N)n1.
What is the InChIKey of 6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
The InChIKey is DERMWKDPXQAETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-17-10-5-9(15-11(12)16-10)14-7-8-3-2-4-13-6-8/h2-6H,7H2,1H3,(H3,12,14,15,16).
What are the key properties of 6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine?
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine has a molecular weight of 231.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 113268079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).