2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine

C22H26N4O — CID 124750208

IUPAC2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2cc(-c3ccccc3)nc(N[C@H](C)CC)n2)cc1
InChIInChI=1S/C22H26N4O/c1-4-16(3)23-22-25-20(17-9-7-6-8-10-17)15-21(26-22)24-18-11-13-19(14-12-18)27-5-2/h6-16H,4-5H2,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
InChIKeyUTRSPQVSILFACD-MRXNPFEDSA-N
MW362.48 g/mol
LogP5.50
Rot. Bonds8

About 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine

2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine (PubChem CID 124750208) has the molecular formula C22H26N4O and a molecular weight of 362.48 g/mol. Its IUPAC name is 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
PubChem CID124750208
Molecular FormulaC22H26N4O
Molecular Weight362.48 g/mol
Exact Mass362.21
IUPAC Name2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine
SMILESCCOc1ccc(Nc2cc(-c3ccccc3)nc(N[C@H](C)CC)n2)cc1
InChIInChI=1S/C22H26N4O/c1-4-16(3)23-22-25-20(17-9-7-6-8-10-17)15-21(26-22)24-18-11-13-19(14-12-18)27-5-2/h6-16H,4-5H2,1-3H3,(H2,23,24,25,26)/t16-/m1/s1
InChIKeyUTRSPQVSILFACD-MRXNPFEDSA-N
XLogP5.50
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.48
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[4-[[2-(butan-2-ylamino)-6-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112934051
N-[4-[[2-[[(2S)-butan-2-yl]amino]-6-phenylpyrimidin-4-yl]amino]phenyl]acetamide
CID 124748906
4-N-(4-ethoxyphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)-6-phenylpyrimidine-2,4-diamine
CID 112938237
3-[[2-[[(2S)-butan-2-yl]amino]-6-phenylpyrimidin-4-yl]amino]benzonitrile
CID 124750224
2-N-butan-2-yl-4-N-[(4-methoxyphenyl)methyl]-6-phenylpyrimidine-2,4-diamine
CID 112934005
4-N-(4-ethoxyphenyl)-2-N,2-N-diethyl-6-phenylpyrimidine-2,4-diamine
CID 112937737
2-N-(4-ethoxyphenyl)-4-N-(2-methoxyethyl)-6-phenylpyrimidine-2,4-diamine
CID 112934938
4-N-butan-2-yl-2-N-[4-(dimethylamino)phenyl]-6-phenylpyrimidine-2,4-diamine
CID 112933968
2-N-(4-ethoxyphenyl)-4-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935216
4-N-(4-methylphenyl)-6-phenyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112932857
2-N-benzyl-4-N-(4-methoxyphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112936904
4-N-(4-ethoxyphenyl)-6-N-(2-methylpropyl)-2-phenylpyrimidine-4,6-diamine
CID 112879831

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine (CID 124750208) is 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine is CCOc1ccc(Nc2cc(-c3ccccc3)nc(N[C@H](C)CC)n2)cc1.
What is the InChIKey of 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
The InChIKey is UTRSPQVSILFACD-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H26N4O/c1-4-16(3)23-22-25-20(17-9-7-6-8-10-17)15-21(26-22)24-18-11-13-19(14-12-18)27-5-2/h6-16H,4-5H2,1-3H3,(H2,23,24,25,26)/t16-/m1/s1.
What are the key properties of 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine?
2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine has a molecular weight of 362.48 g/mol, XLogP of 5.50, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2R)-butan-2-yl]-4-N-(4-ethoxyphenyl)-6-phenylpyrimidine-2,4-diamine is sourced from PubChem (CID 124750208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).