(4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine

C19H31N3 — CID 18654010

IUPAC(4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(Cc1ccc(C(C)(C)C)cc1)NC1=N[C@@H](C)C[C@@H](C)N1
InChIInChI=1S/C19H31N3/c1-13-11-14(2)21-18(20-13)22-15(3)12-16-7-9-17(10-8-16)19(4,5)6/h7-10,13-15H,11-12H2,1-6H3,(H2,20,21,22)/t13-,14+,15?
InChIKeyCAKFEIDSXFAHRX-YIONKMFJSA-N
MW301.48 g/mol
LogP3.63
Rot. Bonds3

About (4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine

(4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 18654010) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is (4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound Name(4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID18654010
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name(4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCC(Cc1ccc(C(C)(C)C)cc1)NC1=N[C@@H](C)C[C@@H](C)N1
InChIInChI=1S/C19H31N3/c1-13-11-14(2)21-18(20-13)22-15(3)12-16-7-9-17(10-8-16)19(4,5)6/h7-10,13-15H,11-12H2,1-6H3,(H2,20,21,22)/t13-,14+,15?
InChIKeyCAKFEIDSXFAHRX-YIONKMFJSA-N
XLogP3.63
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of (4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine (CID 18654010) is (4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for (4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for (4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine is CC(Cc1ccc(C(C)(C)C)cc1)NC1=N[C@@H](C)C[C@@H](C)N1.
What is the InChIKey of (4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is CAKFEIDSXFAHRX-YIONKMFJSA-N. The full InChI is InChI=1S/C19H31N3/c1-13-11-14(2)21-18(20-13)22-15(3)12-16-7-9-17(10-8-16)19(4,5)6/h7-10,13-15H,11-12H2,1-6H3,(H2,20,21,22)/t13-,14+,15?.
What are the key properties of (4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine?
(4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 301.48 g/mol, XLogP of 3.63, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-N-[1-(4-tert-butylphenyl)propan-2-yl]-4,6-dimethyl-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 18654010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).