2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide

C16H20N4O2 — CID 72845464

IUPAC2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cn1
InChIInChI=1S/C16H20N4O2/c1-3-17-16-18-9-13(10-19-16)15(22)20-11(2)14(21)12-7-5-4-6-8-12/h4-11,14,21H,3H2,1-2H3,(H,20,22)(H,17,18,19)/t11-,14-/m0/s1
InChIKeyHUMLPCWBPAMYJU-FZMZJTMJSA-N
MW300.36 g/mol
LogP1.76
Rot. Bonds6

About 2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide

2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide (PubChem CID 72845464) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide
PubChem CID72845464
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide
SMILESCCNc1ncc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cn1
InChIInChI=1S/C16H20N4O2/c1-3-17-16-18-9-13(10-19-16)15(22)20-11(2)14(21)12-7-5-4-6-8-12/h4-11,14,21H,3H2,1-2H3,(H,20,22)(H,17,18,19)/t11-,14-/m0/s1
InChIKeyHUMLPCWBPAMYJU-FZMZJTMJSA-N
XLogP1.76
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide?
The IUPAC name of 2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide (CID 72845464) is 2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide?
The canonical SMILES for 2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide is CCNc1ncc(C(=O)N[C@@H](C)[C@H](O)c2ccccc2)cn1.
What is the InChIKey of 2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide?
The InChIKey is HUMLPCWBPAMYJU-FZMZJTMJSA-N. The full InChI is InChI=1S/C16H20N4O2/c1-3-17-16-18-9-13(10-19-16)15(22)20-11(2)14(21)12-7-5-4-6-8-12/h4-11,14,21H,3H2,1-2H3,(H,20,22)(H,17,18,19)/t11-,14-/m0/s1.
What are the key properties of 2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide?
2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-N-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]pyrimidine-5-carboxamide is sourced from PubChem (CID 72845464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).