N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine

C10H17ClN4 — CID 106155271

IUPACN'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
SMILESCC(CN)CCCNc1ncncc1Cl
InChIInChI=1S/C10H17ClN4/c1-8(5-12)3-2-4-14-10-9(11)6-13-7-15-10/h6-8H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyRFGQAXDWTAALIX-UHFFFAOYSA-N
MW228.73 g/mol
LogP1.92
Rot. Bonds6

About N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine

N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine (PubChem CID 106155271) has the molecular formula C10H17ClN4 and a molecular weight of 228.73 g/mol. Its IUPAC name is N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine.

Molecular Properties

Compound NameN'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
PubChem CID106155271
Molecular FormulaC10H17ClN4
Molecular Weight228.73 g/mol
Exact Mass228.11
IUPAC NameN'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine
SMILESCC(CN)CCCNc1ncncc1Cl
InChIInChI=1S/C10H17ClN4/c1-8(5-12)3-2-4-14-10-9(11)6-13-7-15-10/h6-8H,2-5,12H2,1H3,(H,13,14,15)
InChIKeyRFGQAXDWTAALIX-UHFFFAOYSA-N
XLogP1.92
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Chloropyrimidine-2,4-diamine
CID 12580432
2,5-dichloro-N-methylpyrimidin-4-amine
CID 18981247
5-Chloro-2-(piperidin-4-YL)pyrimidine
CID 55262357
N,N'-bis(5-chloropyrimidin-4-yl)propane-1,3-diamine
CID 86804849
5-methyl-N-[3-[(3S)-3-methylpiperidin-1-yl]propyl]pyrimidin-2-amine
CID 97194897
5-fluoro-N~4~-methyl-N~2~-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyrimidine-2,4-diamine
CID 122569408
(2R)-1-N-(5-chloropyrimidin-2-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 124253806
4-N,4-N,5-trimethyl-2-N-[2-[(3R)-1-methylpiperidin-3-yl]ethyl]pyrimidine-2,4-diamine
CID 125518351
5-chloro-N-[3-(4-ethylpiperazin-1-yl)propyl]-2-methylpyrimidin-4-amine
CID 135114129
5-chloro-4-N-[(2S)-2-(dimethylamino)-4-methylpentyl]pyrimidine-4,6-diamine
CID 164639407
4-N-[(3R)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine
CID 58008581
4-N-[(3S)-2,2-dimethylpentan-3-yl]-5-fluoropyrimidine-2,4-diamine
CID 58008788

Frequently Asked Questions

What is the IUPAC name of N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine?
The IUPAC name of N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine (CID 106155271) is N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine.
What is the SMILES notation for N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine?
The canonical SMILES for N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine is CC(CN)CCCNc1ncncc1Cl.
What is the InChIKey of N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine?
The InChIKey is RFGQAXDWTAALIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClN4/c1-8(5-12)3-2-4-14-10-9(11)6-13-7-15-10/h6-8H,2-5,12H2,1H3,(H,13,14,15).
What are the key properties of N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine?
N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine has a molecular weight of 228.73 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-chloropyrimidin-4-yl)-2-methylpentane-1,5-diamine is sourced from PubChem (CID 106155271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).