4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine

C11H18N4 — CID 129372160

IUPAC4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
SMILESCC[C@H](C)Nc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C11H18N4/c1-3-7(2)13-10-6-9(12)14-11(15-10)8-4-5-8/h6-8H,3-5H2,1-2H3,(H3,12,13,14,15)/t7-/m0/s1
InChIKeyDBVPVXBSBLIVKP-ZETCQYMHSA-N
MW206.29 g/mol
LogP2.15
Rot. Bonds4

About 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine

4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine (PubChem CID 129372160) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
PubChem CID129372160
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine
SMILESCC[C@H](C)Nc1cc(N)nc(C2CC2)n1
InChIInChI=1S/C11H18N4/c1-3-7(2)13-10-6-9(12)14-11(15-10)8-4-5-8/h6-8H,3-5H2,1-2H3,(H3,12,13,14,15)/t7-/m0/s1
InChIKeyDBVPVXBSBLIVKP-ZETCQYMHSA-N
XLogP2.15
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine with MolForge

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Related Compounds

2-cyclopropyl-4-N-[1-(4-fluorophenyl)propan-2-yl]pyrimidine-4,6-diamine
CID 80958842
6-butan-2-yl-2-cyclopropylpyrimidin-4-amine
CID 122238996
N-butan-2-yl-2-cyclopropyl-6-(2-methylpropoxy)pyrimidin-4-amine
CID 82456492
2-cyclopropyl-4-N-[4-(furan-2-yl)butan-2-yl]pyrimidine-4,6-diamine
CID 80962005
2-cyclopropyl-4-N-propylpyrimidine-4,6-diamine
CID 80956858
4-N-butan-2-yl-2-cyclopropyl-5-methylpyrimidine-4,6-diamine
CID 80980857
2-cyclopropyl-4-N-[1-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 80960560
2-cyclopropyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-4,6-diamine
CID 80960729
4-N-[1-(5-chlorothiophen-2-yl)ethyl]-2-cyclopropylpyrimidine-4,6-diamine
CID 80961862
2-cyclopropyl-4-N-(2-phenylpropyl)pyrimidine-4,6-diamine
CID 104592592
2-N-(2-cyclopropyl-6-hydrazinylpyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 82950002
2-cyclopropyl-4-N-(4-methylpentan-2-yl)-6-N-propylpyrimidine-4,6-diamine
CID 80968154

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine (CID 129372160) is 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine is CC[C@H](C)Nc1cc(N)nc(C2CC2)n1.
What is the InChIKey of 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine?
The InChIKey is DBVPVXBSBLIVKP-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H18N4/c1-3-7(2)13-10-6-9(12)14-11(15-10)8-4-5-8/h6-8H,3-5H2,1-2H3,(H3,12,13,14,15)/t7-/m0/s1.
What are the key properties of 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine?
4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine has a molecular weight of 206.29 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2S)-butan-2-yl]-2-cyclopropylpyrimidine-4,6-diamine is sourced from PubChem (CID 129372160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).