ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine

C9H19N3 — CID 170580843

IUPACethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine
SMILESCC.CC(C)Nc1ncccn1.[H][H]
InChIInChI=1S/C7H11N3.C2H6.H2/c1-6(2)10-7-8-4-3-5-9-7;1-2;/h3-6H,1-2H3,(H,8,9,10);1-2H3;1H
InChIKeyKLLICLUFKHTCBF-UHFFFAOYSA-N
MW169.27 g/mol
LogP2.57
Rot. Bonds2

About ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine

ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine (PubChem CID 170580843) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine.

Molecular Properties

Compound Nameethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine
PubChem CID170580843
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Nameethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine
SMILESCC.CC(C)Nc1ncccn1.[H][H]
InChIInChI=1S/C7H11N3.C2H6.H2/c1-6(2)10-7-8-4-3-5-9-7;1-2;/h3-6H,1-2H3,(H,8,9,10);1-2H3;1H
InChIKeyKLLICLUFKHTCBF-UHFFFAOYSA-N
XLogP2.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-cyclobutylethyl)pyrimidin-2-amine
CID 115766758
N-but-3-yn-2-ylpyrimidin-2-amine
CID 114382924
2-methyl-3-(pyrimidin-2-ylamino)butan-1-ol
CID 115644022
N-pent-4-yn-2-ylpyrimidin-2-amine
CID 115658926
4-(aminomethyl)-N-propan-2-ylpyrimidin-2-amine
CID 107541907
N-(1-thiophen-2-ylethyl)pyrimidin-2-amine
CID 43397770
N-(4-methoxybutan-2-yl)pyrimidin-2-amine
CID 62732717
4-methyl-3-(pyrimidin-2-ylamino)pentan-1-ol
CID 103696577
N-(dicyclopentylmethyl)pyrimidin-2-amine
CID 133306321
4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 155088111
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
5-cyclopentyl-N-propan-2-ylpyrimidin-2-amine
CID 116977251

Frequently Asked Questions

What is the IUPAC name of ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine?
The IUPAC name of ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine (CID 170580843) is ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine.
What is the SMILES notation for ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine?
The canonical SMILES for ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine is CC.CC(C)Nc1ncccn1.[H][H].
What is the InChIKey of ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine?
The InChIKey is KLLICLUFKHTCBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3.C2H6.H2/c1-6(2)10-7-8-4-3-5-9-7;1-2;/h3-6H,1-2H3,(H,8,9,10);1-2H3;1H.
What are the key properties of ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine?
ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine has a molecular weight of 169.27 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;molecular hydrogen;N-propan-2-ylpyrimidin-2-amine is sourced from PubChem (CID 170580843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).