(1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine

C15H20N4 — CID 175811445

IUPAC(1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
SMILESCC(C)c1ccc(CN[C@H](C)c2ncccn2)nc1
InChIInChI=1S/C15H20N4/c1-11(2)13-5-6-14(19-9-13)10-18-12(3)15-16-7-4-8-17-15/h4-9,11-12,18H,10H2,1-3H3/t12-/m1/s1
InChIKeyGMWOTPUHHFTYOA-GFCCVEGCSA-N
MW256.35 g/mol
LogP2.85
Rot. Bonds5

About (1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine

(1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine (PubChem CID 175811445) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is (1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine.

Molecular Properties

Compound Name(1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
PubChem CID175811445
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name(1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine
SMILESCC(C)c1ccc(CN[C@H](C)c2ncccn2)nc1
InChIInChI=1S/C15H20N4/c1-11(2)13-5-6-14(19-9-13)10-18-12(3)15-16-7-4-8-17-15/h4-9,11-12,18H,10H2,1-3H3/t12-/m1/s1
InChIKeyGMWOTPUHHFTYOA-GFCCVEGCSA-N
XLogP2.85
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine?
The IUPAC name of (1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine (CID 175811445) is (1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine.
What is the SMILES notation for (1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine?
The canonical SMILES for (1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine is CC(C)c1ccc(CN[C@H](C)c2ncccn2)nc1.
What is the InChIKey of (1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine?
The InChIKey is GMWOTPUHHFTYOA-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H20N4/c1-11(2)13-5-6-14(19-9-13)10-18-12(3)15-16-7-4-8-17-15/h4-9,11-12,18H,10H2,1-3H3/t12-/m1/s1.
What are the key properties of (1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine?
(1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine has a molecular weight of 256.35 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(5-propan-2-yl-2-pyridinyl)methyl]-1-pyrimidin-2-ylethanamine is sourced from PubChem (CID 175811445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).