(2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol

C15H25N5O — CID 97245516

IUPAC(2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol
SMILESC[C@@H](CO)N1CCN(c2cc(NCC3CC3)ncn2)CC1
InChIInChI=1S/C15H25N5O/c1-12(10-21)19-4-6-20(7-5-19)15-8-14(17-11-18-15)16-9-13-2-3-13/h8,11-13,21H,2-7,9-10H2,1H3,(H,16,17,18)/t12-/m0/s1
InChIKeyKYMQOFBJUJOWNL-LBPRGKRZSA-N
MW291.40 g/mol
LogP0.80
Rot. Bonds6

About (2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol

(2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol (PubChem CID 97245516) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is (2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol.

Molecular Properties

Compound Name(2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol
PubChem CID97245516
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name(2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol
SMILESC[C@@H](CO)N1CCN(c2cc(NCC3CC3)ncn2)CC1
InChIInChI=1S/C15H25N5O/c1-12(10-21)19-4-6-20(7-5-19)15-8-14(17-11-18-15)16-9-13-2-3-13/h8,11-13,21H,2-7,9-10H2,1H3,(H,16,17,18)/t12-/m0/s1
InChIKeyKYMQOFBJUJOWNL-LBPRGKRZSA-N
XLogP0.80
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol?
The IUPAC name of (2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol (CID 97245516) is (2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol.
What is the SMILES notation for (2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol?
The canonical SMILES for (2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol is C[C@@H](CO)N1CCN(c2cc(NCC3CC3)ncn2)CC1.
What is the InChIKey of (2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol?
The InChIKey is KYMQOFBJUJOWNL-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5O/c1-12(10-21)19-4-6-20(7-5-19)15-8-14(17-11-18-15)16-9-13-2-3-13/h8,11-13,21H,2-7,9-10H2,1H3,(H,16,17,18)/t12-/m0/s1.
What are the key properties of (2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol?
(2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol has a molecular weight of 291.40 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[6-(cyclopropylmethylamino)pyrimidin-4-yl]piperazin-1-yl]propan-1-ol is sourced from PubChem (CID 97245516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).