6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine

C12H15N5O2 — CID 104696689

IUPAC6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(NCc2cccnc2OC)nc(N)n1
InChIInChI=1S/C12H15N5O2/c1-18-10-6-9(16-12(13)17-10)15-7-8-4-3-5-14-11(8)19-2/h3-6H,7H2,1-2H3,(H3,13,15,16,17)
InChIKeyCXNFAACSKYENMX-UHFFFAOYSA-N
MW261.29 g/mol
LogP1.08
Rot. Bonds5

About 6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine

6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine (PubChem CID 104696689) has the molecular formula C12H15N5O2 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
PubChem CID104696689
Molecular FormulaC12H15N5O2
Molecular Weight261.29 g/mol
Exact Mass261.12
IUPAC Name6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(NCc2cccnc2OC)nc(N)n1
InChIInChI=1S/C12H15N5O2/c1-18-10-6-9(16-12(13)17-10)15-7-8-4-3-5-14-11(8)19-2/h3-6H,7H2,1-2H3,(H3,13,15,16,17)
InChIKeyCXNFAACSKYENMX-UHFFFAOYSA-N
XLogP1.08
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-N-[(2-ethoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 46576633
6-methoxy-4-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 113268079
6-N-[(2-methoxy-3-pyridinyl)methyl]pyridine-2,6-diamine
CID 80647149
6-methoxy-4-N-(thiophen-2-ylmethyl)pyrimidine-2,4-diamine
CID 103817433
4-N-[(3-fluorophenyl)methyl]-6-methoxypyrimidine-2,4-diamine
CID 114053013
2-[(2-methoxy-3-pyridinyl)methylamino]-6-methylpyridine-4-carbonitrile
CID 114769703
N-[(2-methoxy-3-pyridinyl)methyl]-6-methylpyridazin-3-amine
CID 61312329
6-methoxy-4-N-(2-methyl-3-pyridinyl)pyrimidine-2,4-diamine
CID 114053194
5-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-2-amine
CID 58259421
3-[(2-methoxy-3-pyridinyl)methylamino]-1H-pyridazin-6-one
CID 121205932
2-N-[(2-methoxy-3-pyridinyl)methyl]-4-methylpyridine-2,3-diamine
CID 114051199
N-[(2-methoxy-3-pyridinyl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 115372377

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine (CID 104696689) is 6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine is COc1cc(NCc2cccnc2OC)nc(N)n1.
What is the InChIKey of 6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
The InChIKey is CXNFAACSKYENMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O2/c1-18-10-6-9(16-12(13)17-10)15-7-8-4-3-5-14-11(8)19-2/h3-6H,7H2,1-2H3,(H3,13,15,16,17).
What are the key properties of 6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine?
6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine has a molecular weight of 261.29 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-[(2-methoxy-3-pyridinyl)methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 104696689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).