2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine

C8H11N3 — CID 96995953

IUPAC2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine
SMILESC[C@H]1C[C@H]1c1nccc(N)n1
InChIInChI=1S/C8H11N3/c1-5-4-6(5)8-10-3-2-7(9)11-8/h2-3,5-6H,4H2,1H3,(H2,9,10,11)/t5-,6+/m0/s1
InChIKeyDBQVVIADKVPMEU-NTSWFWBYSA-N
MW149.20 g/mol
LogP1.18
Rot. Bonds1

About 2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine

2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine (PubChem CID 96995953) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine
PubChem CID96995953
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine
SMILESC[C@H]1C[C@H]1c1nccc(N)n1
InChIInChI=1S/C8H11N3/c1-5-4-6(5)8-10-3-2-7(9)11-8/h2-3,5-6H,4H2,1H3,(H2,9,10,11)/t5-,6+/m0/s1
InChIKeyDBQVVIADKVPMEU-NTSWFWBYSA-N
XLogP1.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine?
The IUPAC name of 2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine (CID 96995953) is 2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine?
The canonical SMILES for 2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine is C[C@H]1C[C@H]1c1nccc(N)n1.
What is the InChIKey of 2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine?
The InChIKey is DBQVVIADKVPMEU-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H11N3/c1-5-4-6(5)8-10-3-2-7(9)11-8/h2-3,5-6H,4H2,1H3,(H2,9,10,11)/t5-,6+/m0/s1.
What are the key properties of 2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine?
2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine has a molecular weight of 149.20 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,2S)-2-methylcyclopropyl]pyrimidin-4-amine is sourced from PubChem (CID 96995953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).