1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine

C12H23N3 — CID 122098840

IUPAC1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(C)C1(C)CC1NC1=NCCCN1C
InChIInChI=1S/C12H23N3/c1-9(2)12(3)8-10(12)14-11-13-6-5-7-15(11)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyVSXPMNKRPKKDJE-UHFFFAOYSA-N
MW209.34 g/mol
LogP1.70
Rot. Bonds2

About 1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine

1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine (PubChem CID 122098840) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine.

Molecular Properties

Compound Name1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine
PubChem CID122098840
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine
SMILESCC(C)C1(C)CC1NC1=NCCCN1C
InChIInChI=1S/C12H23N3/c1-9(2)12(3)8-10(12)14-11-13-6-5-7-15(11)4/h9-10H,5-8H2,1-4H3,(H,13,14)
InChIKeyVSXPMNKRPKKDJE-UHFFFAOYSA-N
XLogP1.70
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The IUPAC name of 1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine (CID 122098840) is 1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine.
What is the SMILES notation for 1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The canonical SMILES for 1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine is CC(C)C1(C)CC1NC1=NCCCN1C.
What is the InChIKey of 1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine?
The InChIKey is VSXPMNKRPKKDJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-9(2)12(3)8-10(12)14-11-13-6-5-7-15(11)4/h9-10H,5-8H2,1-4H3,(H,13,14).
What are the key properties of 1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine?
1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine has a molecular weight of 209.34 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(2-methyl-2-propan-2-ylcyclopropyl)-5,6-dihydro-4H-pyrimidin-2-amine is sourced from PubChem (CID 122098840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).