4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine

C16H21N5 — CID 72937641

IUPAC4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)c1cc(N[C@H]2Cc3ccccc3[C@@H]2N)nc(N)n1
InChIInChI=1S/C16H21N5/c1-9(2)12-8-14(21-16(18)20-12)19-13-7-10-5-3-4-6-11(10)15(13)17/h3-6,8-9,13,15H,7,17H2,1-2H3,(H3,18,19,20,21)/t13-,15-/m0/s1
InChIKeyBSBIBOFSSQCOOW-ZFWWWQNUSA-N
MW283.38 g/mol
LogP2.22
Rot. Bonds3

About 4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine

4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 72937641) has the molecular formula C16H21N5 and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine
PubChem CID72937641
Molecular FormulaC16H21N5
Molecular Weight283.38 g/mol
Exact Mass283.18
IUPAC Name4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCC(C)c1cc(N[C@H]2Cc3ccccc3[C@@H]2N)nc(N)n1
InChIInChI=1S/C16H21N5/c1-9(2)12-8-14(21-16(18)20-12)19-13-7-10-5-3-4-6-11(10)15(13)17/h3-6,8-9,13,15H,7,17H2,1-2H3,(H3,18,19,20,21)/t13-,15-/m0/s1
InChIKeyBSBIBOFSSQCOOW-ZFWWWQNUSA-N
XLogP2.22
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine (CID 72937641) is 4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine is CC(C)c1cc(N[C@H]2Cc3ccccc3[C@@H]2N)nc(N)n1.
What is the InChIKey of 4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is BSBIBOFSSQCOOW-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H21N5/c1-9(2)12-8-14(21-16(18)20-12)19-13-7-10-5-3-4-6-11(10)15(13)17/h3-6,8-9,13,15H,7,17H2,1-2H3,(H3,18,19,20,21)/t13-,15-/m0/s1.
What are the key properties of 4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine?
4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 283.38 g/mol, XLogP of 2.22, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1S,2S)-1-amino-2,3-dihydro-1H-inden-2-yl]-6-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 72937641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).