2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine

C11H18ClN5 — CID 114133019

IUPAC2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine
SMILESCC(CNc1nc(Cl)ncc1N)N(C)C1CC1
InChIInChI=1S/C11H18ClN5/c1-7(17(2)8-3-4-8)5-14-10-9(13)6-15-11(12)16-10/h6-8H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyKYNKALKAAIAJQE-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.61
Rot. Bonds5

About 2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine

2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine (PubChem CID 114133019) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine
PubChem CID114133019
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC Name2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine
SMILESCC(CNc1nc(Cl)ncc1N)N(C)C1CC1
InChIInChI=1S/C11H18ClN5/c1-7(17(2)8-3-4-8)5-14-10-9(13)6-15-11(12)16-10/h6-8H,3-5,13H2,1-2H3,(H,14,15,16)
InChIKeyKYNKALKAAIAJQE-UHFFFAOYSA-N
XLogP1.61
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,5-dichloro-6-N-[2-[cyclopropyl(methyl)amino]propyl]pyridine-2,6-diamine
CID 114133461
5-amino-6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-2-carboxylic acid
CID 114133278
4-[2-[cyclopropyl(methyl)amino]propylamino]-2-methylpyrimidine-5-carboxylic acid
CID 114214864
2-chloro-4-N-pentan-3-ylpyrimidine-4,5-diamine
CID 58016005
2-N-cyclopropyl-1-N-(3-methoxy-2-pyridinyl)-2-N-methylpropane-1,2-diamine
CID 114134123
3-[[(5-amino-2-chloropyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 106119588
2-chloro-4-N-[2-[2-(dimethylamino)ethoxy]ethyl]pyrimidine-4,5-diamine
CID 114126982
2-chloro-4-N-(3-methylbut-2-enyl)pyrimidine-4,5-diamine
CID 106182395
(2R)-2-N-cyclopropyl-2-N-methyl-1-N-(2,3,5,6-tetrafluoro-4-pyridinyl)propane-1,2-diamine
CID 100643956
2-chloro-4-N-[(3-ethylthiophen-2-yl)methyl]pyrimidine-4,5-diamine
CID 114043903
2-N-[2-[cyclopropyl(methyl)amino]propyl]-4-fluoro-5-iodobenzene-1,2-diamine
CID 114133046
6-[2-[cyclopropyl(methyl)amino]propylamino]pyridine-3-carboxylic acid
CID 114132746

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine?
The IUPAC name of 2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine (CID 114133019) is 2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine?
The canonical SMILES for 2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine is CC(CNc1nc(Cl)ncc1N)N(C)C1CC1.
What is the InChIKey of 2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine?
The InChIKey is KYNKALKAAIAJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClN5/c1-7(17(2)8-3-4-8)5-14-10-9(13)6-15-11(12)16-10/h6-8H,3-5,13H2,1-2H3,(H,14,15,16).
What are the key properties of 2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine?
2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine has a molecular weight of 255.75 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-N-[2-[cyclopropyl(methyl)amino]propyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 114133019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).