2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

C14H25N5 — CID 164641232

IUPAC2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(N[C@H]2CCC[C@@H]2N(C)C)nc1N(C)C
InChIInChI=1S/C14H25N5/c1-10-9-15-14(17-13(10)19(4)5)16-11-7-6-8-12(11)18(2)3/h9,11-12H,6-8H2,1-5H3,(H,15,16,17)/t11-,12-/m0/s1
InChIKeyMMVSXTGKCLYUCU-RYUDHWBXSA-N
MW263.39 g/mol
LogP1.75
Rot. Bonds4

About 2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine

2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (PubChem CID 164641232) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is 2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
PubChem CID164641232
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine
SMILESCc1cnc(N[C@H]2CCC[C@@H]2N(C)C)nc1N(C)C
InChIInChI=1S/C14H25N5/c1-10-9-15-14(17-13(10)19(4)5)16-11-7-6-8-12(11)18(2)3/h9,11-12H,6-8H2,1-5H3,(H,15,16,17)/t11-,12-/m0/s1
InChIKeyMMVSXTGKCLYUCU-RYUDHWBXSA-N
XLogP1.75
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine (CID 164641232) is 2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is Cc1cnc(N[C@H]2CCC[C@@H]2N(C)C)nc1N(C)C.
What is the InChIKey of 2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
The InChIKey is MMVSXTGKCLYUCU-RYUDHWBXSA-N. The full InChI is InChI=1S/C14H25N5/c1-10-9-15-14(17-13(10)19(4)5)16-11-7-6-8-12(11)18(2)3/h9,11-12H,6-8H2,1-5H3,(H,15,16,17)/t11-,12-/m0/s1.
What are the key properties of 2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine?
2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine has a molecular weight of 263.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1S,2S)-2-(dimethylamino)cyclopentyl]-4-N,4-N,5-trimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 164641232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).