(2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine

C12H19N3 — CID 83861716

IUPAC(2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine
SMILESCc1nc2c(c(C(C)C)n1)C(CN)CC2
InChIInChI=1S/C12H19N3/c1-7(2)12-11-9(6-13)4-5-10(11)14-8(3)15-12/h7,9H,4-6,13H2,1-3H3
InChIKeyBGWODYFEHGJDMK-UHFFFAOYSA-N
MW205.30 g/mol
LogP1.90
Rot. Bonds2

About (2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine

(2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine (PubChem CID 83861716) has the molecular formula C12H19N3 and a molecular weight of 205.30 g/mol. Its IUPAC name is (2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine
PubChem CID83861716
Molecular FormulaC12H19N3
Molecular Weight205.30 g/mol
Exact Mass205.16
IUPAC Name(2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine
SMILESCc1nc2c(c(C(C)C)n1)C(CN)CC2
InChIInChI=1S/C12H19N3/c1-7(2)12-11-9(6-13)4-5-10(11)14-8(3)15-12/h7,9H,4-6,13H2,1-3H3
InChIKeyBGWODYFEHGJDMK-UHFFFAOYSA-N
XLogP1.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine?
The IUPAC name of (2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine (CID 83861716) is (2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine.
What is the SMILES notation for (2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine?
The canonical SMILES for (2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine is Cc1nc2c(c(C(C)C)n1)C(CN)CC2.
What is the InChIKey of (2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine?
The InChIKey is BGWODYFEHGJDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3/c1-7(2)12-11-9(6-13)4-5-10(11)14-8(3)15-12/h7,9H,4-6,13H2,1-3H3.
What are the key properties of (2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine?
(2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine has a molecular weight of 205.30 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-4-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-5-yl)methanamine is sourced from PubChem (CID 83861716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).