2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine

C12H22N4O2 — CID 113401520

IUPAC2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
SMILESCCCC(COC)Nc1cc(N)nc(COC)n1
InChIInChI=1S/C12H22N4O2/c1-4-5-9(7-17-2)14-11-6-10(13)15-12(16-11)8-18-3/h6,9H,4-5,7-8H2,1-3H3,(H3,13,14,15,16)
InChIKeyTXEWJYBHGRCGMJ-UHFFFAOYSA-N
MW254.33 g/mol
LogP1.43
Rot. Bonds8

About 2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine

2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine (PubChem CID 113401520) has the molecular formula C12H22N4O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
PubChem CID113401520
Molecular FormulaC12H22N4O2
Molecular Weight254.33 g/mol
Exact Mass254.17
IUPAC Name2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
SMILESCCCC(COC)Nc1cc(N)nc(COC)n1
InChIInChI=1S/C12H22N4O2/c1-4-5-9(7-17-2)14-11-6-10(13)15-12(16-11)8-18-3/h6,9H,4-5,7-8H2,1-3H3,(H3,13,14,15,16)
InChIKeyTXEWJYBHGRCGMJ-UHFFFAOYSA-N
XLogP1.43
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methoxymethyl)-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-4,6-diamine
CID 113495337
2-[[6-amino-2-(ethoxymethyl)pyrimidin-4-yl]amino]-3-methoxypropan-1-ol
CID 106198708
2-ethyl-4-N-(1-methoxypentan-2-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80941879
4-methoxy-3-[[2-(methoxymethyl)-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 106163010
6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-2,4,6-triamine
CID 80837603
2-ethyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028697
4-N-octan-4-yl-2-propylpyrimidine-4,6-diamine
CID 106028699
3-methoxy-2-[[2-(methoxymethyl)-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 114157112
2-N-ethyl-4-N-(1-methoxypentan-2-yl)-6-methylpyrimidine-2,4-diamine
CID 80836840
2-cyclopropyl-6-N-ethyl-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine
CID 80959752
2-ethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80933934
2-ethyl-4-(1-methoxypentan-2-ylamino)-1H-pyrimidin-6-one
CID 137016467

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine (CID 113401520) is 2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine is CCCC(COC)Nc1cc(N)nc(COC)n1.
What is the InChIKey of 2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine?
The InChIKey is TXEWJYBHGRCGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O2/c1-4-5-9(7-17-2)14-11-6-10(13)15-12(16-11)8-18-3/h6,9H,4-5,7-8H2,1-3H3,(H3,13,14,15,16).
What are the key properties of 2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine?
2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine has a molecular weight of 254.33 g/mol, XLogP of 1.43, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-4-N-(1-methoxypentan-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 113401520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).