6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine

C10H18ClN5 — CID 63024122

IUPAC6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine
SMILESCC(CCN(C)C)Nc1ncnc(Cl)c1N
InChIInChI=1S/C10H18ClN5/c1-7(4-5-16(2)3)15-10-8(12)9(11)13-6-14-10/h6-7H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyHLUNRRAINIHBNU-UHFFFAOYSA-N
MW243.74 g/mol
LogP1.46
Rot. Bonds5

About 6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine

6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine (PubChem CID 63024122) has the molecular formula C10H18ClN5 and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine
PubChem CID63024122
Molecular FormulaC10H18ClN5
Molecular Weight243.74 g/mol
Exact Mass243.13
IUPAC Name6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine
SMILESCC(CCN(C)C)Nc1ncnc(Cl)c1N
InChIInChI=1S/C10H18ClN5/c1-7(4-5-16(2)3)15-10-8(12)9(11)13-6-14-10/h6-7H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyHLUNRRAINIHBNU-UHFFFAOYSA-N
XLogP1.46
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-4-N-(5-methylhexan-2-yl)pyrimidine-4,5-diamine
CID 63925085
6-chloro-4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-4,5-diamine
CID 55143692
6-chloro-4-N-(6-methylheptan-2-yl)pyrimidine-4,5-diamine
CID 63022217
6-chloro-4-N-(1-piperidin-1-ylpropan-2-yl)pyrimidine-4,5-diamine
CID 63022906
3-N-(6-hydrazinyl-5-propylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904538
3-N-(3,6-dichloro-1,2,4-triazin-5-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 81038165
3-N-(3,5-dichloro-6-hydrazinyl-2-pyridinyl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 102761814
3-N-(5-chloro-2-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylbutane-1,3-diamine
CID 80904346
4-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-2-ol
CID 64927663
2-[(5-amino-6-chloropyrimidin-4-yl)amino]butan-1-ol
CID 60726864
3-[(5-amino-6-chloropyrimidin-4-yl)amino]-4,4-dimethylpentan-1-ol
CID 106348328
3-N-[4-(dimethylamino)butan-2-yl]quinoxaline-2,3-diamine
CID 102984132

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine?
The IUPAC name of 6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine (CID 63024122) is 6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine is CC(CCN(C)C)Nc1ncnc(Cl)c1N.
What is the InChIKey of 6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine?
The InChIKey is HLUNRRAINIHBNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18ClN5/c1-7(4-5-16(2)3)15-10-8(12)9(11)13-6-14-10/h6-7H,4-5,12H2,1-3H3,(H,13,14,15).
What are the key properties of 6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine?
6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine has a molecular weight of 243.74 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[4-(dimethylamino)butan-2-yl]pyrimidine-4,5-diamine is sourced from PubChem (CID 63024122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).