N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine

C10H14N4 — CID 114416155

IUPACN-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine
SMILESC#CC(C)NC(CN)c1ccncn1
InChIInChI=1S/C10H14N4/c1-3-8(2)14-10(6-11)9-4-5-12-7-13-9/h1,4-5,7-8,10,14H,6,11H2,2H3
InChIKeyLTHBHUOEPHNVMH-UHFFFAOYSA-N
MW190.25 g/mol
LogP0.09
Rot. Bonds4

About N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine

N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine (PubChem CID 114416155) has the molecular formula C10H14N4 and a molecular weight of 190.25 g/mol. Its IUPAC name is N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine.

Molecular Properties

Compound NameN-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine
PubChem CID114416155
Molecular FormulaC10H14N4
Molecular Weight190.25 g/mol
Exact Mass190.12
IUPAC NameN-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine
SMILESC#CC(C)NC(CN)c1ccncn1
InChIInChI=1S/C10H14N4/c1-3-8(2)14-10(6-11)9-4-5-12-7-13-9/h1,4-5,7-8,10,14H,6,11H2,2H3
InChIKeyLTHBHUOEPHNVMH-UHFFFAOYSA-N
XLogP0.09
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(6-ethylpyrimidin-4-yl)-N-methylpyrrolidin-3-amine
CID 118720433
N,N-dimethyl-4-propylpyrimidin-2-amine
CID 10820940
4-tert-butyl-N-methylpyrimidin-2-amine
CID 12450610
4-ethyl-N,N-dimethylpyrimidin-2-amine
CID 44347601
1-(6-Ethylpyrimidin-4-yl)piperidin-3-amine
CID 54593076
4-(Pyrrolidin-2-yl)pyrimidine
CID 13639423
4-(Propan-2-yl)pyrimidin-2-amine
CID 14639241
4-(Piperidin-4-yl)pyrimidine
CID 17894842
4-(Piperidin-3-yl)pyrimidin-2-amine
CID 61727251
Methyl[2-(pyrimidin-4-yl)ethyl]amine
CID 64868994
4-Butylpyrimidin-2-amine
CID 68303122
1-(Pyrimidin-4-yl)ethan-1-amine dihydrochloride
CID 68754471

Frequently Asked Questions

What is the IUPAC name of N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine?
The IUPAC name of N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine (CID 114416155) is N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine.
What is the SMILES notation for N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine?
The canonical SMILES for N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine is C#CC(C)NC(CN)c1ccncn1.
What is the InChIKey of N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine?
The InChIKey is LTHBHUOEPHNVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4/c1-3-8(2)14-10(6-11)9-4-5-12-7-13-9/h1,4-5,7-8,10,14H,6,11H2,2H3.
What are the key properties of N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine?
N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine has a molecular weight of 190.25 g/mol, XLogP of 0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-yn-2-yl-1-pyrimidin-4-ylethane-1,2-diamine is sourced from PubChem (CID 114416155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).