4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine

C12H21ClN4O — CID 114043716

IUPAC4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine
SMILESCCC(C)N(CCOC)c1nc(Cl)nc(C)c1N
InChIInChI=1S/C12H21ClN4O/c1-5-8(2)17(6-7-18-4)11-10(14)9(3)15-12(13)16-11/h8H,5-7,14H2,1-4H3
InChIKeyOOLAQLXSMWZLPM-UHFFFAOYSA-N
MW272.78 g/mol
LogP2.27
Rot. Bonds6

About 4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine

4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine (PubChem CID 114043716) has the molecular formula C12H21ClN4O and a molecular weight of 272.78 g/mol. Its IUPAC name is 4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine.

Molecular Properties

Compound Name4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine
PubChem CID114043716
Molecular FormulaC12H21ClN4O
Molecular Weight272.78 g/mol
Exact Mass272.14
IUPAC Name4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine
SMILESCCC(C)N(CCOC)c1nc(Cl)nc(C)c1N
InChIInChI=1S/C12H21ClN4O/c1-5-8(2)17(6-7-18-4)11-10(14)9(3)15-12(13)16-11/h8H,5-7,14H2,1-4H3
InChIKeyOOLAQLXSMWZLPM-UHFFFAOYSA-N
XLogP2.27
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
CID 102750784
6-N-butan-2-yl-3,5-difluoro-6-N-(2-methoxyethyl)pyridine-2,6-diamine
CID 114074357
N-butan-2-yl-6-chloro-N-(2-methoxyethyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972379
2-N-butan-2-yl-6-methoxy-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 113286494
N-butan-2-yl-5-chloro-2-hydrazinyl-N-(2-methoxyethyl)pyrimidin-4-amine
CID 80905477
2-N-butan-2-yl-6-chloro-4-N-ethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 80821370
4-N-butan-2-yl-4-N-(2-methoxyethyl)-6-methylpyrimidine-2,4-diamine
CID 80810126
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 82961053
6-chloro-4-N-(2-methoxyethyl)-4-N-(1-methoxypropan-2-yl)pyrimidine-4,5-diamine
CID 63024124
2-N-butan-2-yl-4-N,4-N-diethyl-2-N-(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 80787377
4-N-butan-2-yl-6-ethyl-4-N-(2-methoxyethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103326475
2-N-butan-2-yl-2-N-(2-methoxyethyl)-4-methylpyridine-2,5-diamine
CID 79176590

Frequently Asked Questions

What is the IUPAC name of 4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine?
The IUPAC name of 4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine (CID 114043716) is 4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine.
What is the SMILES notation for 4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine?
The canonical SMILES for 4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine is CCC(C)N(CCOC)c1nc(Cl)nc(C)c1N.
What is the InChIKey of 4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine?
The InChIKey is OOLAQLXSMWZLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O/c1-5-8(2)17(6-7-18-4)11-10(14)9(3)15-12(13)16-11/h8H,5-7,14H2,1-4H3.
What are the key properties of 4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine?
4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine has a molecular weight of 272.78 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-butan-2-yl-2-chloro-4-N-(2-methoxyethyl)-6-methylpyrimidine-4,5-diamine is sourced from PubChem (CID 114043716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).