N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine

C10H16N4 — CID 83830250

IUPACN'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine
SMILESNCCCNc1nccc(C2CC2)n1
InChIInChI=1S/C10H16N4/c11-5-1-6-12-10-13-7-4-9(14-10)8-2-3-8/h4,7-8H,1-3,5-6,11H2,(H,12,13,14)
InChIKeyQKKVBCJCNWONIW-UHFFFAOYSA-N
MW192.27 g/mol
LogP1.11
Rot. Bonds5

About N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine

N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine (PubChem CID 83830250) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine
PubChem CID83830250
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC NameN'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine
SMILESNCCCNc1nccc(C2CC2)n1
InChIInChI=1S/C10H16N4/c11-5-1-6-12-10-13-7-4-9(14-10)8-2-3-8/h4,7-8H,1-3,5-6,11H2,(H,12,13,14)
InChIKeyQKKVBCJCNWONIW-UHFFFAOYSA-N
XLogP1.11
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 51.11
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

N'-(4-bromopyrimidin-2-yl)propane-1,3-diamine
CID 117224384
N'-(4-phenylpyrimidin-2-yl)propane-1,3-diamine
CID 117224364
N'-[4-(1-adamantyl)pyrimidin-2-yl]propane-1,3-diamine
CID 19621248
2-N-(2-aminoethyl)-4-N-cyclopropylpyrimidine-2,4-diamine
CID 121204907
4-cyclopropyl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 83836767
tert-butyl N-[2-[(4-cyclopentylpyrimidin-2-yl)amino]ethyl]carbamate
CID 103278680
4-N-(5-aminopentyl)-2-N-propylpyrimidine-2,4-diamine
CID 175183922
N'-(6-cyclopropyl-2-pyridinyl)ethane-1,2-diamine
CID 83827788
N'-[4-[(4-fluorophenyl)methyl]pyrimidin-2-yl]propane-1,3-diamine
CID 117224403
N'-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,5-diamine
CID 107323566
4-cyclopentyl-N-[2-[(3S)-3-methylpiperidin-1-yl]ethyl]pyrimidin-2-amine
CID 95402847
4-cyclopentyl-N-(oxan-2-ylmethyl)pyrimidin-2-amine
CID 56869794

Frequently Asked Questions

What is the IUPAC name of N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine?
The IUPAC name of N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine (CID 83830250) is N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine?
The canonical SMILES for N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine is NCCCNc1nccc(C2CC2)n1.
What is the InChIKey of N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine?
The InChIKey is QKKVBCJCNWONIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c11-5-1-6-12-10-13-7-4-9(14-10)8-2-3-8/h4,7-8H,1-3,5-6,11H2,(H,12,13,14).
What are the key properties of N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine?
N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine has a molecular weight of 192.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-cyclopropylpyrimidin-2-yl)propane-1,3-diamine is sourced from PubChem (CID 83830250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).